SCHEMBL3840240

SCHEMBL3840240

Fc1ccc(F)c(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.54
CHRM2 P08172 6/20 0.42
CHRM1 P11229 5/20 0.42
CHRM3 P20309 5/20 0.42
CHRM4 P08173 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3840243 1.00 CHRNA7 (0.54) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3839228 0.89 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3839223 0.89 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3843503 0.87 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3843507 0.87 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3840537 0.86 CHRNA7 (0.54) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3840541 0.86 CHRNA7 (0.54) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL1460490 0.85 CHRNA7 (0.53) CHRNA7CHRM2CHRM1
SCHEMBL1460488 0.85 CHRNA7 (0.53) CHRNA7CHRM2CHRM1
SCHEMBL3844550 0.85 CHRNA7 (0.53) CHRNA7CHRM2CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236803-B2 Aza-bicycloalkyl ethers and their use as alpha7-nAChR agonists NOVARTIS AG (CH) 2012-08-07 US claimed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP disclosed